CID 3000604

Tin organometallic

Structural Information

Molecular Formula
C40H36N2S4Sn2
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)SC(=S)NCCNC(=S)S[Sn](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/6C6H5.C4H8N2S4.2Sn/c6*1-2-4-6-5-3-1;7-3(8)5-1-2-6-4(9)10;;/h6*1-5H;1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;;;;;;2*+1/p-2
InChIKey
DOICFEXUJKISKP-UHFFFAOYSA-L
Compound name
triphenylstannyl N-[2-(triphenylstannylsulfanylcarbothioylamino)ethyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

911.9805 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 912.98778 277.1
[M+Na]+ 934.96972 276.4
[M-H]- 910.97322 284.5
[M+NH4]+ 930.01432 272.4
[M+K]+ 950.94366 261.6
[M+H-H2O]+ 894.97776 264.8
[M+HCOO]- 956.97870 273.6
[M+CH3COO]- 970.99435 274.7
[M+Na-2H]- 932.95517 280.7
[M]+ 911.97995 269.7
[M]- 911.98105 269.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe